Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Apr-2024 | ts-III-IVprime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.1743514; Eh | ||||
18-Apr-2024 | ts-III-IV | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -2823.252301; Eh | ||||
18-Apr-2024 | IVprime | Kiriakidi, Sofia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.2658392; Eh | ||||
18-Apr-2024 | II | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -4940.9494074; Eh | ||||
18-Apr-2024 | DIPEAH | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -410.1168887; Eh | ||||
18-Apr-2024 | 1a | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -3130.2531008; Eh | ||||
18-Apr-2024 | DIPEA | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -409.6701193; Eh | ||||
18-Apr-2024 | IIIprime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.1840573; Eh | ||||
18-Apr-2024 | Iprime | Kiriakidi, Sofia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -4446.0775083; Eh | ||||
18-Apr-2024 | CO2-AlCl3 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -1811.0742145; Eh |
Results 1-10 of 15 (Search time: 0.0 seconds).
Discover
Calculation type